Structural Properties of Li_xMn_2O_4 as Investigated by Molecular Dynamics and Density Functional Theory

スポンサーリンク

概要

• 論文の詳細を見る
• 社団法人応用物理学会の論文
• 2000-07-30

著者

• Miyamoto A

  New Ind. Creation Hatchery Center Tohoku Univ.

• Kawasaki M

  Institute For Materials Research (imr) Tohoku University

• MIYAMOTO Akira

  Department of Applied Chemistry, Graduate School of Engineering, Tohoku University

• Kubo Momoji

  Department Of Molecular Chemistry And Engineering Tohoku University

• Kubo Momoji

  Department Of Applied Chemistry Graduate School Of Engineering Tohoku University

• Oumi Y

  School Of Materials Science Japan Advanced Institute Of Science And Technology

• Oumi Yasunori

  Department Of Materials Chemistry Graduate School Of Engineering Tohoku University

• Oumi Yasunori

  Department Of Applied Chemistry Graduate School Of Engineering Hiroshima University

• Takami S

  Corporate Manufacturing Engineering Center Toshiba Corporation

• Kawasaki Masashi

  Department Of Applied Biological Science Tokyo Noko University

• TAKAMI Seiichi

  Department of Materials Chemistry, Graduate School of Engineering, Tohoku University

• Suzuki Ken

  Department of Agricultural Chemistry, Faculty of Agriculture, Hokkaido University

• KIKUCHI Masahiro

  Nippon Chemical Insustrial Co., Ltd.

• YAMAZAKI Nobuyuki

  Nippon Chemical Insustrial Co., Ltd.

• MITA Muneo

  Nippon Chemical Insustrial Co., Ltd.

• Mita Muneo

  Nippon Chemical Insustrial Co. Ltd.

• Miyamoto Akira

  Department Of Applied Chemistry Graduate School Of Engineering Tohoku University

• Takami Seiichi

  Department Of Chemical System Engineering Faculty Of Engineering The University Of Tokyo

• Suzuki K

  Precision Equipment Company Nikon Corporation

• Suzuki K

  Display Materials And Devices Laboratory Corporate Research And Development Center Toshiba Corporati

• Yamazaki Nobuyuki

  Nippon Chemical Insustrial Co. Ltd.

• KIKUCHI Masahiro

  Nippon Chemical Industrial Co., Ltd.

関連論文

• Theoretic Study of Electronic and Electrical Properties for Nano-Structural ZnO
• Adsorption Properties of CH_3OH on Al(111) and Fe(100) Surfaces : A Periodic First-Principles Investigation
• Crystal Structure and Valence Distribution of [(LaMnO_3)_m(SrMnO_3)_m]_n Artificial Superlattices(Condensed matter: structure and mechanical and thermal properties)
• Experimental Elucidation: Microscopic Mechanism of Resonant X-Ray Scattering in Manganite Films (Condensed Matter: Electronic Structure, Electrical, Magnetic and Optical Properties)
• Resonant X-ray Scattering in Perovskite Manganite Superlattice : Observation of "Orbital Superlattice"
• Effects of Simultaneous Dietary Fish Oil Ingestion and Sulfur Amino Acid Supplementation on the Lipid Metabolism in Hepatoma-Bearing Rats with Hyperlipidemia
• Comparison of the Effects on Lipid Metabolism of Dietary Methionine and Cystine between Hepatoma-Bearing and Normal Rats
• Serum Lipid Levels Correlate with Solid Tumor Weight in Hepatoma-Bearing Rats Fed Dietary Fish Oil
• Comparison of the Changes in Lipid Metabolism between Hepatoma-bearing and Lipopolysaccharide-treated Rats
• Responses of Serum Lipids and Adipose Tissue Lipases to Lipopolysaccharide Administration in Normal and Hepatoma-bearing Rats
• Tight-Binding Quantum Chemistry Study on Excitation Properties of Perylene with Acrylic Acid on Anatase (001) Surface
• Tight-Binding Quantum Chemical Molecular Dynamics Study on Interfacial Electron Transfer in Dye-Sensitized Anatase (001) Surface
• Development of Multi-Scale Electrical Conductivity Simulator with the Joule Heating Module and its Application to Polycrystalline SiO_2
• Influence of Chemical Topology on the Electrical Properties of Carbon Black-A Theoretical Study
• Ferromagnetism in Co-Doped TiO_2 Rutile Thin Films Grown by Laser Molecular Beam Epitaxy
• Structural and Optical Properties of ZnO Epitaxial Films Grown on Al_2O_3 (1120) Substrates by Metalorganic Chemical Vapor Deposition
• Development of a Seebeck Coefficient Prediction Simulator Using Tight-Binding Quantum Chemical Molecular Dynamics
• Development of the multi-scale simulator for the dye-sensitized TiO_2 nanoporous electrode based on quantum chemical calculation
• Theoretical Study on the Photophyscial Properties of an Efficient Sensitizer for Nanocrystalline TiO_2-Based Solar Cells
• A Theoretical Approach for Developing New p-Type Transparent Conducting Metal Oxide
• Theoretical Study on the Photophyscial Properties of an Efficient Sensitizer for Nanocrystalline TiO_2-Based Solar Cells
• Development of A Combined Thermal Conductivity Prediction Simulator Including Conduction Electron and Lattice Vibration Effects
• Theoretical Study on the Electronic and Structural Properties of p-Type Transparent Conducting Metal Oxides
• Development of Accelerated Large-Scale Electronic Structure Calculation Program for Designing of Rare Earth Phosphors
• A Theoretical Study of the Effect of Eu ion Dopant on the Electronic Excitations of Yttrium Oxide and Yttrium Oxy-Sulphide
• Study on the Role of Oxygen Vacancies of Indium Tin Oxide by Density Functional Theory and Accelerated Quantum Chemical Molecular Dynamics Method
• Theoretical simulation on the excited state properties : Effect of lanthanide ion dopant in yttrium oxide and yttrium oxy-sulphide
• A Theoretical Study on Influence of Oxygen Vacancies on the Electronic Properties of Indium Oxide and Indium Tin Oxide
• A Theoretical Study : Effect of Eu and Er ion Dopant on the Electronic Excitations of Yttrium Oxide and Yttrium Oxy-Sulphide
• Temperature-Dependent Soft X-ray Photoemission and Absorption Studies of Charge Disproportionation in La_Sr_xFeO_3(Condensed Matter: Electronic Structure, Electrical, Magnetic and Optical Properties)
• SIM-01 MD SIMULATION ON THE RESPONSE SPEED OF HYDRAULIC FLUID(Simulations of Micro/Nano Scale Phenomena I,Technical Program of Oral Presentations)
• Accelerated Quantum Chemical Molecular Dynamics Study on the Properties of Organic Light-Emitting Diodes
• Theoretical characterization of ground and low lying excited state of poly(3,4-ethylenedioxythiophene) and poly(4-styrenesulfonate)
• Theoretical Investigation of the Electronic Properties of PEDOT : PSS Conducting Polymer on Indium Tin Dioxide (ITO) Surface : an Accelerated Quantum Chemical Molecular Dynamics Method
• Molecular Dynamics and Quantum Chemical Molecular Dynamics Approach to Design of MgO Protecting Layer in Plasma Display
• Theoretical Design of MgO Protecting Layer in Plasma Display by New Kinetic Monte Carlo Simulator
• In Situ Optical Diagnosis of Pulsed Laser Deposition and Oxidation of YBa_2Cu_3O_ Thin Films
• Investigation of Hydrogen Chemisorption on GaAs(111)A Ga Surface by In Situ Monitoring and Ab Initio Calculation
• Magnetic Domain Structures Governed by Granular Morphology in La_Sr_MnO_3 Thin Films as Probed by Low-Temperature Magnetic Force Microscopy
• Quantitative Conductivity Mapping of SrTiO_3-LaAlO_3-LaTiO_3 Ternary Composition-Spread Thin Film by Scanning Microwave Microscope
• Observation of Compositional Fluctuation by Scanning Superconducting Quantum Interference Device (SQUID) Microscope in Superconducting La_Sr_CuO_4
• Pulsed Laser Epitaxy and Magnetic Properties of Single Phase Y-Type Magnetoplumbite Thin Films
• SIM-11 A NEW APPROACH ON CALCULATION OF VISCOSITIES OF COMPLEX LIQUIDS USING ULTRA-ACCELERATED QUANTUM CHEMICAL MOLECULAR DYNAMICS(Simulations of Micro/Nano Scale Phenomena III,Technical Program of Oral Presentations)
• Computational Chemistry Study of Diamond-like Carbon : Functions and Structure Control by Frictional Force
• Theoretical Study on Electronic and Electrical Properties of Nano Structural ZnO
• Theoretical study on the electrical properties of conducting carbon based materials
• Dielectric Breakdown Simulation by Molecular Dynamics and Tight-Binding Quantum Chemistry Methods
• Development of New Calculation Method for Rare Earth Element and Large Scale Electronic Structure Calculation of Blue Phosphor BaMgAl_O_:Eu^
• Chemical trend of Fermi-level shift in transition metal-doped TiO2 films
• Molecular layer-by-layer growth of C-60 thin films by continuous-wave infrared laser deposition
• Temperature Dependence of Absorption Spectra in Anatase TiO_2 Epilayers
• Temperature Dependence of Absorption Spectra in Anatase TiO_2 Epilayers
• Combinatorial Laser Molecular Beam Epitaxy (MBE) Growth of Mg-Zn-O Alloy for Band Gap Engineering
• Growth and Characterization of Ferroelectric Pb(Zr, Ti)O_3 Films on Interface-Controlled CeO_2(111)/Si(111) Structures
• Pulsed Laser Deposition of Epitaxial Ferroelectric Pb(Zr, Ti)O_3 Films on Si(100) Substrate
• Mg_xZn_O Films with a Low Residual Donor Concentration (
• Mg_xZn_O-Based Schottky Photodiode for Highly Color-Selective Ultraviolet Light Detection
• Tight-Binding Molecular Dynamics Study of Hydrogen Molecule Inside Silicon Crystal
• Tight-binding Molecular Dynamics Simulation of Desorbed SiO Molecule during the Oxidation of Si(111) Surface
• Quantum Chemical Study on the Interaction of NF3 with Si
• Tight-Binding Molecular Dynamics Simulation of Desorbed SiO Molecule during the Oxidation of Si(111) Surface
• Atomic Control of Ultrafine Gold Particles on MgO(100) as Investigated by Molecular Dynamics and Computer Graphics
• Molecular Dynamics Simulations of Metal Clusters and Metal Deposition on Metal Surfaces
• Aluminum Reflow Behavior in Via-Hole Filling Investigated by Molecular Dynamics Simulation and Computer Graphics
• THE INFLUENCE OF ^B ADDITION ON THE SWELLING SUPPRESSION BY PHOSPHORUS AND TITANIUM IN Fe-Cr-Ni
• Structural Properties of Li_xMn_2O_4 as Investigated by Molecular Dynamics and Density Functional Theory
• Periodic Boundary Quantum Chemical Study on ZnO Ultra-Violet Laser Emitting Materials
• Periodic Boundary Quantum Chemical Study on ZnO Ultra-Violet Laser Emitting Materials
• Development of New Kinetic Monte Carlo Simulator for Theoretical Design of MgO Protecting Layer in Plasma Display
• Theoretical Calculations on Electronic Structure and Catalytic Reaction of Organo-f-element Complexes
• Investigation of Thermal Annealing Process of GaN Layer on Sapphire by Molecular Dynamics
• Investigation of Initial Growth Process of GaN Film on Sapphire Using Computational Chemistry
• Investigation of Growth Process of GaN Film on Sapphire by Computational Chemistry
• Computational Studies on GaN Surface Polarity and InN/GaN Heterostructures by Density Functional Theory and Molecular Dynamics
• Study on Surface Polarity of GaN by Density Functional Theory and Molecular Dynamics
• Atomistic Crystal Growth Process of Metal Oxide Electronics Materials : Theoretical Simulation Studies
• Molecular Orbital Calculations of Sulfur Doping Reactions in Diamond CVD
• Computational Chemistry Study on Initial Stages of Nitridation of Silicon Surfaces
• Molecular Dynamics Simulations of Adhesional Forces via Hydrocarbon Films
• Nonlinear Susceptibility of Second Harmonic Generation Corresponded to the Diamond(100)Surface Structures
• Development of New Tight-Binding Molecular Dynamics Program to Simulate Chemical-Mechanical Polishing Processes
• Development of New Tight-Binding Molecular Dynamics Program to Simulate Chemical-Mechanical Polishing Processes
• Theoretical Simulation of Dielectric Breakdown by Molecular Dynamics and Tight-Binding Quantum Chemistry Methods
• Theoretical Investigation of Electrical and Electronic Properties of Carbon Materials
• Investigation of the Electrical and Electronic Properties of Semiconductor Oxide Gas Sensors by Tight-Binding Quantum Calculations
• Theoretical investigation on the electronic properties of conjugated double and triple bond linear carbon chains
• Computational Chemistry Study on Crystal Growth Process of InGaN/GaN
• Simulations of the Effects of Tip Apex Geometries on Atomic Force Microscopy Images
• Effects of Atomic Arrangement at Tip Apex and Tip-Sample Distance on Atomic Force Microscopy Images: A Simulation Study
• Molecular Adsorption on Ultrafine Precious Metal Particles Studied by Density Functional Calculation
• Simulation of Atomic Force Microscopy Image Variations along the Surface Normal:Presence of Possible Resolution Limit in the Attractive Force Range
• Molecular Dynamics Studies of Surface Difference Effect on Gas Separation by Zeolite Membranes
• Excited State Study of Europium Oxide and Europium Sulphide using Quantum Chemical Method
• Theoretical Study on Fe-Based Metal Clusters: Application in Heterogeneous Catalysis
• Development of Hybrid Tight-Binding Quantum Chemical Molecular Dynamics Method and Its Application to Boron Implantation Process into Pre-amorphized Silicon Substrate
• Development of Electric Conductivity Simulator Based on Tight-Binding Quantum Chemical Molecular Dynamics
• Depth Profile Prediction on Low Energy Boron Implantation Process by Tight-Binding Quantum Chemical Molecular Dynamics
• Theoretical Study of Chemical Mechanical Polishing of SiO_2 Surface
• Quantum Chemical Molecular Dynamics Simulation of Boron Diffusion and Si Implantation into Silicon Surface
• Ab Initio Study for Si-H Bond Vibration on the Surface of Silicon Vacancy

もっと見る 閉じる

スポンサーリンク